4-chloro-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridin-1-amine

C22H26ClN5O2 — CID 177195481

IUPAC4-chloro-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridin-1-amine
SMILESCN[C@@H]1CCN(c2cc3c(Cl)cnc(N)c3c(Oc3c(C)ccc(OC)c3C)n2)C1
InChIInChI=1S/C22H26ClN5O2/c1-12-5-6-17(29-4)13(2)20(12)30-22-19-15(16(23)10-26-21(19)24)9-18(27-22)28-8-7-14(11-28)25-3/h5-6,9-10,14,25H,7-8,11H2,1-4H3,(H2,24,26)/t14-/m1/s1
InChIKeyUCQBCYSCEBHXIC-CQSZACIVSA-N
MW427.94 g/mol
LogP4.08
Rot. Bonds5

About 4-chloro-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridin-1-amine

4-chloro-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridin-1-amine (PubChem CID 177195481) has the molecular formula C22H26ClN5O2 and a molecular weight of 427.94 g/mol. Its IUPAC name is 4-chloro-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridin-1-amine.

Molecular Properties

Compound Name4-chloro-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridin-1-amine
PubChem CID177195481
Molecular FormulaC22H26ClN5O2
Molecular Weight427.94 g/mol
Exact Mass427.18
IUPAC Name4-chloro-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridin-1-amine
SMILESCN[C@@H]1CCN(c2cc3c(Cl)cnc(N)c3c(Oc3c(C)ccc(OC)c3C)n2)C1
InChIInChI=1S/C22H26ClN5O2/c1-12-5-6-17(29-4)13(2)20(12)30-22-19-15(16(23)10-26-21(19)24)9-18(27-22)28-8-7-14(11-28)25-3/h5-6,9-10,14,25H,7-8,11H2,1-4H3,(H2,24,26)/t14-/m1/s1
InChIKeyUCQBCYSCEBHXIC-CQSZACIVSA-N
XLogP4.08
TPSA85.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.94
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chloro-6-methoxypyridin-2-yl)-5-isopropoxy-7-(2-(pyrrolidin-1-yl)ethoxy)quinazolin-4-amine
CID 44405700
N-(3-chloro-6-methoxypyridin-2-yl)-5-isopropoxy-7-(3-(4-methylpiperazin-1-yl)propoxy)quinazolin-4-amine
CID 44405706
N-(5-chloro-2-methoxypyridin-4-yl)-5-isopropoxy-7-(3-morpholinopropoxy)quinazolin-4-amine
CID 44405727
N-(3-chloro-6-methoxypyridin-2-yl)-5-isopropoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazolin-4-amine
CID 44405756
6-chloro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-4-(2,4,6-trimethylphenoxy)pyridin-2-amine
CID 134137225
4-(4-chlorophenoxy)-6-[(3S)-4-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperazin-1-yl]pyrimidine
CID 93297065
N-(3-chloro-4-fluorophenyl)-7-[3-[methyl-(1-methylpyrrolidin-3-yl)amino]propoxy]-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-amine
CID 68886195
N-(3-chloro-4-fluorophenyl)-7-[3-[3-(dimethylamino)pyrrolidin-1-yl]propoxy]-5-(oxan-4-yloxy)quinazolin-4-amine
CID 68888590
6-[[(2R)-2-amino-3,3-difluorocyclohexyl]amino]-4-chloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoropyrrolo[3,4-c]pyridin-3-ol
CID 137139780
6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]-3-[(3-fluoro-2-pyridinyl)methyldiazenyl]pyridine-2,4-diamine
CID 156571967
4-[[5-(5-chloro-3-fluoro-2-pyridinyl)-4-methyl-3-pyridinyl]methyl]-N-[(2,4-dimethoxyphenyl)methyl]-3-fluoropyridin-2-amine
CID 174161583
7-[1-(difluoromethyl)imidazol-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]-5-(3-methoxy-2,6-dimethylphenoxy)pyrido[4,3-d]pyrimidin-4-amine
CID 177195403

Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridin-1-amine?
The IUPAC name of 4-chloro-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridin-1-amine (CID 177195481) is 4-chloro-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridin-1-amine.
What is the SMILES notation for 4-chloro-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridin-1-amine?
The canonical SMILES for 4-chloro-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridin-1-amine is CN[C@@H]1CCN(c2cc3c(Cl)cnc(N)c3c(Oc3c(C)ccc(OC)c3C)n2)C1.
What is the InChIKey of 4-chloro-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridin-1-amine?
The InChIKey is UCQBCYSCEBHXIC-CQSZACIVSA-N. The full InChI is InChI=1S/C22H26ClN5O2/c1-12-5-6-17(29-4)13(2)20(12)30-22-19-15(16(23)10-26-21(19)24)9-18(27-22)28-8-7-14(11-28)25-3/h5-6,9-10,14,25H,7-8,11H2,1-4H3,(H2,24,26)/t14-/m1/s1.
What are the key properties of 4-chloro-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridin-1-amine?
4-chloro-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridin-1-amine has a molecular weight of 427.94 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-(3-methoxy-2,6-dimethylphenoxy)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2,7-naphthyridin-1-amine is sourced from PubChem (CID 177195481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).